[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone

C16H17N3O3 — CID 110807707

IUPAC[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H17N3O3/c20-15(13-5-1-2-7-17-13)18-8-4-9-19(11-10-18)16(21)14-6-3-12-22-14/h1-3,5-7,12H,4,8-11H2
InChIKeyAOZOATZXALUQSQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.66
Rot. Bonds2

About [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone

[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone (PubChem CID 110807707) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
PubChem CID110807707
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H17N3O3/c20-15(13-5-1-2-7-17-13)18-8-4-9-19(11-10-18)16(21)14-6-3-12-22-14/h1-3,5-7,12H,4,8-11H2
InChIKeyAOZOATZXALUQSQ-UHFFFAOYSA-N
XLogP1.66
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 109203676
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
2-phenyl-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110808251
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)-4-pyridinyl]methanone
CID 109083000
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid
CID 53270741
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110816028
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 110808437
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
[3-(furan-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110667356

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone (CID 110807707) is [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone?
The InChIKey is AOZOATZXALUQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(13-5-1-2-7-17-13)18-8-4-9-19(11-10-18)16(21)14-6-3-12-22-14/h1-3,5-7,12H,4,8-11H2.
What are the key properties of [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone?
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone has a molecular weight of 299.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 110807707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).